SCHEMBL460112

SCHEMBL460112

O=C(Nc1ccon1)N1CCC(NC(=O)N2CCC(=Cc3cc(F)ccc3F)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
OPRM1 P35372 1/20 0.39
NPC1 O15118 1/20 0.39
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
FAAH O00519 3/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
CNR2 P34972 1/20 0.36
ACKR3 P25106 2/20 0.35
PAK1 Q13153 1/20 0.35
HPGDS O60760 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL460605 0.84 NPC1 (0.43) KMT2AOPRM1NPC1FAAHALDH1A1
SCHEMBL460471 0.82 NPC1 (0.53) KMT2ANPC1USP2TSHRFAAH
SCHEMBL459347 0.81 ALDH1A1 (0.45) KMT2ANPC1USP2TSHRALDH1A1
SCHEMBL459775 0.80 SRD5A2 (0.44) KMT2ANPC1USP2TSHRALDH1A1
SCHEMBL459660 0.80 ALDH1A1 (0.46) KMT2ANPC1TSHRALDH1A1POLB
SCHEMBL457742 0.80 ALDH1A1 (0.46) KMT2ANPC1USP2TSHRALDH1A1
SCHEMBL460136 0.80 ALDH1A1 (0.48) KMT2ANPC1ALDH1A1POLBCNR2
SCHEMBL458157 0.80 EPHX2 (0.43) KMT2ANPC1USP2TSHRALDH1A1
SCHEMBL460503 0.79 CYP2D6 (0.42) KMT2ANPC1USP2TSHRFAAH
SCHEMBL460097 0.79 DRD2 (0.42) KMT2ANPC1USP2TSHRALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181183-B2 Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US claimed
EP-2615084-B1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS TAIHO PHARMACEUTICAL CO LTD (JP) 2016-01-06 EP disclosed
US-9181183-B2 Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US disclosed
EP-2615084-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS Taiho Pharmaceutical Co., Ltd. (JP) 2013-07-17 EP disclosed
US-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-27 US disclosed
WO-2012033069-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS 大鵬薬品工業株式会社 (JP) 2012-03-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS PTGIS, PTGS1, PTGDR KMT2A 3659/4885OPRM1 606/4885NPC1 2377/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.